4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine

C23H18N4O2S — CID 94848941

IUPAC4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N/N=C\c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N4O2S/c1-16-11-13-17(14-12-16)21-22(18-7-3-2-4-8-18)30-23(25-21)26-24-15-19-9-5-6-10-20(19)27(28)29/h2-15H,1H3,(H,25,26)/b24-15-
InChIKeyZJZJOMDPJSCBRW-IWIPYMOSSA-N
MW414.49 g/mol
LogP6.14
Rot. Bonds6

About 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 94848941) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
PubChem CID94848941
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(N/N=C\c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N4O2S/c1-16-11-13-17(14-12-16)21-22(18-7-3-2-4-8-18)30-23(25-21)26-24-15-19-9-5-6-10-20(19)27(28)29/h2-15H,1H3,(H,25,26)/b24-15-
InChIKeyZJZJOMDPJSCBRW-IWIPYMOSSA-N
XLogP6.14
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
[2-[(Z)-[(4,5-diphenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 124529730
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 94848933
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 94848965
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-4,5-diphenyl-1,3-thiazol-2-amine
CID 124529729
N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 4152781
N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine
CID 73204472
N-[(Z)-(4-heptoxyphenyl)methylideneamino]-4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-amine
CID 98068073
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 98114884

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine (CID 94848941) is 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(N/N=C\c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZJZJOMDPJSCBRW-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-16-11-13-17(14-12-16)21-22(18-7-3-2-4-8-18)30-23(25-21)26-24-15-19-9-5-6-10-20(19)27(28)29/h2-15H,1H3,(H,25,26)/b24-15-.
What are the key properties of 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 414.49 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 94848941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).